SCHEMBL5717954

SCHEMBL5717954

NC(=O)[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1ccc(COC(=O)NN2CCN(CCO)CC2)cc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
ENPP2 Q13822 1/20 0.33
CHRNA7 P36544 1/20 0.33
PRCP P42785 3/20 0.33
KCNH2 Q12809 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
OPRM1 P35372 3/20 0.32
HTR2A P28223 3/20 0.32
CACNA1F O60840 2/20 0.32
HTR1A P08908 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
HRH2 P25021 2/20 0.32
ADRA1D P25100 2/20 0.32
HTR2C P28335 2/20 0.32
HTR7 P34969 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5718129 0.92 KCNQ3 (0.44) KCNQ3KCNQ2OPRK1ITGB3ITGA2B
SCHEMBL5717956 0.89 PRCP (0.36) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5838749 0.83 KCNQ3 (0.41) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5718148 0.81 KCNQ3 (0.38) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5839244 0.79 KCNQ3 (0.47) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5718074 0.75 F2 (0.41) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5838001 0.75 KCNQ3 (0.44) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5717882 0.74 KCNQ3 (0.43) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5718138 0.74 KCNQ3 (0.46) KCNQ3KCNQ2PRCPKCNH2DRD2
Bicarbonate SCHEMBL5718065 0.73 KCNQ3 (0.44) KCNQ3KCNQ2CHRNA7PRCPKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP claimed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US claimed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US claimed
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed
US-7074780-B2 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2006-07-11 US disclosed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
US-6649616-B2 For therapy and prophylaxis of cardiovascular disorders caused by ischaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885ENPP2 1249/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885ENPP2 1249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.